4-[(2,5-difluorophenyl)methyl]cyclohexan-1-ol

C13H16F2O — CID 116928452

IUPAC4-[(2,5-difluorophenyl)methyl]cyclohexan-1-ol
SMILESOC1CCC(Cc2cc(F)ccc2F)CC1
InChIInChI=1S/C13H16F2O/c14-11-3-6-13(15)10(8-11)7-9-1-4-12(16)5-2-9/h3,6,8-9,12,16H,1-2,4-5,7H2
InChIKeyLBKPFKYMNRYDRD-UHFFFAOYSA-N
MW226.27 g/mol
LogP3.06
Rot. Bonds2

About 4-[(2,5-difluorophenyl)methyl]cyclohexan-1-ol

4-[(2,5-difluorophenyl)methyl]cyclohexan-1-ol (PubChem CID 116928452) has the molecular formula C13H16F2O and a molecular weight of 226.27 g/mol. Its IUPAC name is 4-[(2,5-difluorophenyl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(2,5-difluorophenyl)methyl]cyclohexan-1-ol
PubChem CID116928452
Molecular FormulaC13H16F2O
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name4-[(2,5-difluorophenyl)methyl]cyclohexan-1-ol
SMILESOC1CCC(Cc2cc(F)ccc2F)CC1
InChIInChI=1S/C13H16F2O/c14-11-3-6-13(15)10(8-11)7-9-1-4-12(16)5-2-9/h3,6,8-9,12,16H,1-2,4-5,7H2
InChIKeyLBKPFKYMNRYDRD-UHFFFAOYSA-N
XLogP3.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(2,5-difluorophenyl)methyl]cycloheptan-1-ol
CID 64515583
4-[(2,5-difluorophenyl)methyl]cyclohexan-1-one
CID 83261542
3-[(5-chloro-2-fluorophenyl)methyl]cyclopentan-1-ol
CID 103050503
4-[(2,5-difluorophenyl)methyl]azepane
CID 83262438
1-[(2,5-difluorophenyl)methyl]piperidin-4-ol
CID 24904993
2-(2,5-difluorophenyl)-N-(4-hydroxycyclohexyl)acetamide
CID 111470021
4-[2-(2,5-difluorophenyl)ethyl-methylamino]cyclohexan-1-ol
CID 115149605
2-bromo-1-(cyclopropylmethyl)-4-fluorobenzene
CID 165123188
4-(2,5-difluorophenyl)cyclohexan-1-ol
CID 116963227
4-[[2-fluoro-5-(4-fluorophenyl)phenyl]methyl]piperidine
CID 117463711
3-[(2,5-difluorophenyl)methyl]-5-methylpiperidine
CID 106777987
[4-[(2,5-difluorophenyl)methoxy]cyclohexyl]methanol
CID 106825197

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-difluorophenyl)methyl]cyclohexan-1-ol?
The IUPAC name of 4-[(2,5-difluorophenyl)methyl]cyclohexan-1-ol (CID 116928452) is 4-[(2,5-difluorophenyl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[(2,5-difluorophenyl)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[(2,5-difluorophenyl)methyl]cyclohexan-1-ol is OC1CCC(Cc2cc(F)ccc2F)CC1.
What is the InChIKey of 4-[(2,5-difluorophenyl)methyl]cyclohexan-1-ol?
The InChIKey is LBKPFKYMNRYDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2O/c14-11-3-6-13(15)10(8-11)7-9-1-4-12(16)5-2-9/h3,6,8-9,12,16H,1-2,4-5,7H2.
What are the key properties of 4-[(2,5-difluorophenyl)methyl]cyclohexan-1-ol?
4-[(2,5-difluorophenyl)methyl]cyclohexan-1-ol has a molecular weight of 226.27 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-difluorophenyl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 116928452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).